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Title: Materials Data on Pu(TeO3)2 by Materials Project

Abstract

PuTe2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pu4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pu–O bond distances ranging from 2.18–2.64 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.53 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.94 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pu4+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pu4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Pu4+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Pu4+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry tomore » one Pu4+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu4+ and one Te4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-16785
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pu(TeO3)2; O-Pu-Te
OSTI Identifier:
1192163
DOI:
https://doi.org/10.17188/1192163

Citation Formats

The Materials Project. Materials Data on Pu(TeO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192163.
The Materials Project. Materials Data on Pu(TeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1192163
The Materials Project. 2020. "Materials Data on Pu(TeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1192163. https://www.osti.gov/servlets/purl/1192163. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1192163,
title = {Materials Data on Pu(TeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PuTe2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pu4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pu–O bond distances ranging from 2.18–2.64 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.53 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.94 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pu4+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pu4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Pu4+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Pu4+ and one Te4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Pu4+ and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pu4+ and one Te4+ atom.},
doi = {10.17188/1192163},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}